N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine

C15H27N3O — CID 81074807

IUPACN-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
SMILESCCOCCN(C)c1ccnc(CNCC(C)C)c1
InChIInChI=1S/C15H27N3O/c1-5-19-9-8-18(4)15-6-7-17-14(10-15)12-16-11-13(2)3/h6-7,10,13,16H,5,8-9,11-12H2,1-4H3
InChIKeyHXJRDBCLMMEWBX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.30
Rot. Bonds9

About N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine

N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine (PubChem CID 81074807) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
PubChem CID81074807
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
SMILESCCOCCN(C)c1ccnc(CNCC(C)C)c1
InChIInChI=1S/C15H27N3O/c1-5-19-9-8-18(4)15-6-7-17-14(10-15)12-16-11-13(2)3/h6-7,10,13,16H,5,8-9,11-12H2,1-4H3
InChIKeyHXJRDBCLMMEWBX-UHFFFAOYSA-N
XLogP2.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 62289015
N-methyl-2-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine
CID 62284741
N-methyl-N-(3-methylbutan-2-yl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 62284127
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
CID 103340187
4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile
CID 81055827
N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 63940070
N-methyl-N-(2-methylcyclohexyl)-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 62287919
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62296126
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104566255
2-(ethylaminomethyl)-N,N-bis(2-methylpropyl)pyridin-4-amine
CID 62284205
2-(aminomethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine
CID 63697340
N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79794906

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine?
The IUPAC name of N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine (CID 81074807) is N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine is CCOCCN(C)c1ccnc(CNCC(C)C)c1.
What is the InChIKey of N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine?
The InChIKey is HXJRDBCLMMEWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-19-9-8-18(4)15-6-7-17-14(10-15)12-16-11-13(2)3/h6-7,10,13,16H,5,8-9,11-12H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine?
N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 81074807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).